1,3-benzothiazol-2-ylmethyl 2-[[3-(diethylsulfamoyl)phenyl]carbonylamino]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[[3-(diethylsulfamoyl)phenyl]carbonylamino]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetate CAS Name: 2-[[[3-(diethylsulfamoyl)phenyl]-oxomethyl]amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetate Traditional Name: 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O5S2/c1-3-24(4-2)31(27,28)16-9-7-8-15(12-16)21(26)22-13-20(25)29-14-19-23-17-10-5-6-11-18(17)30-19/h5-12H,3-4,13-14H2,1-2H3,(H,22,26)